SCHEMBL9000191

SCHEMBL9000191

CCOP(=O)(CSCn1cncn1)OCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.36
TSHR P16473 2/20 0.33
PPARD Q03181 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9000139 0.85 FDPS (0.41) FDPSEGLN3TSHRPPARDMEN1
SCHEMBL9000197 0.75 FDPS (0.36) FDPSEGLN3TSHRALDH1A1MAPT
SCHEMBL10881742 0.74 POLB (0.40) FDPS
SCHEMBL10884318 0.74 TSHR (0.43) TSHRMEN1USP2KMT2AHSD17B10
SCHEMBL10883268 0.72 FDPS (0.50) FDPSEGLN3TSHRPPARDKMT2A
SCHEMBL10884315 0.71 FDPS (0.48) FDPSEGLN3MEN1KMT2AALDH1A1
SCHEMBL10881738 0.69 NLRP3 (0.36)
SCHEMBL10885921 0.67 FDPS (0.40) FDPS
SCHEMBL9000178 0.67 FDPS (0.36) FDPSEGLN3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3889468 0.66 TSHR (0.52) TSHRPPARDMEN1KMT2AHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730408-A1 TRIAZOLE PHOSPHONATE PESTICIDES AgrEvo UK Limited (GB) 1996-09-11 EP disclosed
WO-1995014385-A1 TRIAZOLE PHOSPHONATE PESTICIDES AGREVO UK LIMITED (GB) 1995-06-01 WO disclosed